REAL300016313511.mol2 30                                                        
   1       C    -0.15    -4.29     9.50      71.98       0.68    -3.60     15
   2       C     0.09     3.32     3.37      44.25       0.15     3.47     15
   3       H     0.11     3.55     7.50      -2.39      -0.02     3.53     15
   4       N    -1.09   -32.38     5.44    -172.52      -0.94   -33.32     15
   5       S     2.72    59.34     5.72     -56.49      -0.32    59.02     15
   6       O    -0.96   -22.80    17.28    -128.00      -2.21   -25.02     15
   7       O    -0.97   -26.91    16.63    -128.00      -2.13   -29.04     15
   8       C    -0.67    -8.43     5.07      22.27       0.11    -8.31     15
   9       C     0.05     0.48     8.56      22.27       0.19     0.67     15
  10       C    -0.12    -1.41     8.62      22.27       0.19    -1.21     15
  11       C     0.39     6.12     4.82      22.27       0.11     6.22     15
  12       F    -0.20    -7.69    16.66      44.97       0.75    -6.94     15
  13       F    -0.16    -4.56    15.31      44.97       0.69    -3.87     15
  14       F    -0.16    -4.68    15.32      44.97       0.69    -3.99     15
  15       F    -0.16    -4.54    15.32      44.97       0.69    -3.85     15
  16       F    -0.16    -4.68    15.31      44.97       0.69    -4.00     15
  17       C    -0.12    -1.19     8.62      22.27       0.19    -1.00     15
  18       C     0.06     0.48     9.52      22.27       0.21     0.69     15
  19       C     0.47    26.99     7.23      71.23       0.52    27.51     15
  20       O    -0.74   -48.38    18.00      19.04       0.34   -48.04     15
  21       O    -0.72   -45.15    17.09      19.05       0.33   -44.82     15
  22       H     0.06     1.79     8.14      -2.39      -0.02     1.77     15
  23       H     0.09     1.60     6.15      -2.39      -0.01     1.59     15
  24       H     0.07     1.99     8.14      -2.39      -0.02     1.97     15
  25       H     0.43    13.29     8.15     -96.74      -0.79    12.50     15
  26       H     0.22     1.47     7.62      -2.91      -0.02     1.45     15
  27       H     0.21     1.81     7.40      -2.91      -0.02     1.79     15
  28       H     0.21     1.36     7.40      -2.90      -0.02     1.34     15
  29       H     0.23     0.45     7.62      -2.91      -0.02     0.43     15
 Total:         -1.00   -93.05   291.50                 -0.02   -93.07